CID 9022

Trimethylpentylammonium bromide

Structural Information

Molecular Formula

C₈H₂₀N

SMILES

CCCCC[N+](C)(C)C

InChI

InChI=1S/C8H20N/c1-5-6-7-8-9(2,3)4/h5-8H2,1-4H3/q+1

InChIKey

ACZOGADOAZWANS-UHFFFAOYSA-N

Compound name

trimethyl(pentyl)azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1051
Patents: 130.15958 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	131.166856	128.1
[M+Na]+	153.148798	134.7
[M-H]-	129.152304	130.1
[M+NH4]+	148.193403	151.1
[M+K]+	169.122738	129.8
[M+H-H2O]+	113.156840	126.7
[M+HCOO]-	175.157781	151.9
[M+CH3COO]-	189.173431	174.9
[M+Na-2H]-	151.134246	138.0
[M]+	130.15903142	129.2
[M]-	130.16012858	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe